SCHEMBL6893939

SCHEMBL6893939

c1cn2cc(-c3ccc4c(c3)nc3n4CCN4CCC[C@@H]4C3)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.40
FAAH O00519 1/20 0.39
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 5/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
TRIM33 Q9UPN9 1/20 0.34
TRIM24 O15164 1/20 0.34
CPT2 P23786 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6895811 1.00 DYRK1A (0.40) DYRK1AFAAHMAPTALDH1A1SMN1; SMN2
SCHEMBL6895980 1.00 DYRK1A (0.40) DYRK1AFAAHMAPTALDH1A1SMN1; SMN2
SCHEMBL6895219 0.97 MAPT (0.39) DYRK1AFAAHMAPTALDH1A1SMN1; SMN2
SCHEMBL6893765 0.97 MAPT (0.39) DYRK1AFAAHMAPTALDH1A1SMN1; SMN2
SCHEMBL6895923 0.97 MAPT (0.39) DYRK1AFAAHMAPTALDH1A1SMN1; SMN2
SCHEMBL6893796 0.96 DYRK1A (0.40) DYRK1AFAAHMAPTALDH1A1SMN1; SMN2
SCHEMBL6893794 0.96 DYRK1A (0.40) DYRK1AFAAHMAPTALDH1A1SMN1; SMN2
SCHEMBL6896123 0.96 DYRK1A (0.40) DYRK1AFAAHMAPTALDH1A1SMN1; SMN2
SCHEMBL6893867 0.93 DYRK1A (0.39) DYRK1AFAAHMAPTALDH1A1SMN1; SMN2
SCHEMBL6895849 0.93 DYRK1A (0.39) DYRK1AFAAHMAPTALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
WO-2011031816-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
WO-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof HRH3, HRH4, HRH2 DYRK1A 1227/4885FAAH 246/4885MAPT 951/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 DYRK1A 1227/4885FAAH 246/4885MAPT 951/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.